SCHEMBL6572564

SCHEMBL6572564

CCC(C=O)c1cccc(C(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
TYR P14679 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HDAC2 Q92769 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX12 P18054 2/20 0.42
HTT P42858 2/20 0.42
MDM4 O15151 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CA5A P35218 1/20 0.42
MDM2 Q00987 1/20 0.42
CA9 Q16790 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30366336 1.00 HDAC4 (0.42) HDAC4HDAC8TYRKDM4EALDH1A1
SCHEMBL31347981 0.81 ACP3 (0.41) HDAC4HDAC8ALDH1A1HDAC2TP53
SCHEMBL22867716 0.81 ACP3 (0.41) HDAC4HDAC8ALDH1A1HDAC2TP53
SCHEMBL7623081 0.80 TYR (0.50) TYRKDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL14879623 0.80 PTGS2 (0.39) HDAC4HDAC8ALDH1A1HDAC2SMN1; SMN2
SCHEMBL22401582 0.80 ALDH1A1 (0.41) ALDH1A1HTTMAPTGAA
SCHEMBL9714681 0.80 HIF1A (0.50) HDAC4HDAC8KDM4EALDH1A1HDAC2
SCHEMBL27506218 0.80 ACP3 (0.40) TSHRLMNA
SCHEMBL3276260 0.78 LMNA (0.46) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL218804 0.78 LMNA (0.46) KDM4EALDH1A1SMN1; SMN2MAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4516118-A2 USE OF AMBOCENIDE® FOR REINFORCING A LILY OF THE VALLEY NOTE Symrise AG (DE) 2025-03-05 EP claimed
EP-4021900-B1 2,2,6-TRIMETHYL-4,5-DIHYDRO-3H-OXEPINE AS AROMA INGREDIENT BASF SE (DE) 2023-10-11 EP claimed
EP-4096618-A1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS Symrise AG (DE) 2022-12-07 EP claimed
US-20220281834-A1 2,2,6-TRIMETHYL-4,5-DIHYDRO-3H-OXEPINE AS AROMA INGREDIENT BASF SE (DE) 2022-09-08 US claimed
EP-4021900-A1 2,2,6-TRIMETHYL-4,5-DIHYDRO-3H-OXEPINE AS AROMA INGREDIENT BASF SE (DE) 2022-07-06 EP claimed
WO-2022122143-A1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS SYMRISE AG (DE) 2022-06-16 WO claimed
WO-2021037806-A1 2,2,6-TRIMETHYL-4,5-DIHYDRO-3H-OXEPINE AS AROMA INGREDIENT BASF SE (DE) 2021-03-04 WO claimed
EP-3665163-A1 USE OF AMBROCENIDE ® FOR INTENSIFYING A LILY OF THE VALLEY SCENT Symrise AG (DE) 2020-06-17 EP claimed
CN-111108100-A Use of Diwang ambergris for enhancing the Convallaria tone 西姆莱斯有限公司 2020-05-05 CN claimed
WO-2017174827-A1 USE OF AMBROCENIDE ® FOR INTENSIFYING A LILY OF THE VALLEY SCENT SYMRISE AG (DE) 2017-10-12 WO claimed
EP-4516118-A2 USE OF AMBOCENIDE® FOR REINFORCING A LILY OF THE VALLEY NOTE Symrise AG (DE) 2025-03-05 EP disclosed
CN-113444526-B Food-source kitchen waste stink-generating inhibitor, kitchen waste stink-removing composition and suction inhibitor 大日本除虫菊株式会社 2025-02-25 CN disclosed
US-20240301331-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-09-12 US disclosed
CN-111183136-B Amber odorant 弗门尼舍有限公司 2024-05-28 CN disclosed
CN-118048210-A Detergent composition 广州立白企业集团有限公司 2024-05-17 CN disclosed
CN-101472874-B Fragrance compounds GIVAUDAN SA 2012-11-14 CN disclosed
CN-101472874-A Fragrance compounds GIVAUDAN SA (CH) 2009-07-01 CN disclosed
EP-1385470-A1 FRAGRANT MIXTURES WITH INCREASED STRENGTH OF ODOR Symrise GmbH & Co. KG (DE) 2004-02-04 EP disclosed
WO-2002076421-A1 FRAGRANT MIXTURES WITH INCREASED STRENGTH OF ODOR SYMRISE GMBH & CO. KG (DE) 2002-10-03 WO disclosed
CN-1290248-A Serine carbonates GIVAUDAN ROURE INT (CH) 2001-04-04 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220281834-A1 2,2,6-TRIMETHYL-4,5-DIHYDRO-3H-OXEPINE AS AROMA INGREDIENT DRD4, HTR5A, HTR4 HDAC4 1124/4885HDAC8 3302/4885TYR 1049/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.